(5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione

C17H18FN3O3 — CID 156823250

IUPAC(5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CCC(=O)N2Cc3cccc(F)c3C2)(C2CC2)N1
InChIInChI=1S/C17H18FN3O3/c18-13-3-1-2-10-8-21(9-12(10)13)14(22)6-7-17(11-4-5-11)15(23)19-16(24)20-17/h1-3,11H,4-9H2,(H2,19,20,23,24)/t17-/m0/s1
InChIKeyMAYZZKQDOJYYNY-KRWDZBQOSA-N
MW331.35 g/mol
LogP1.44
Rot. Bonds4

About (5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156823250) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID156823250
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CCC(=O)N2Cc3cccc(F)c3C2)(C2CC2)N1
InChIInChI=1S/C17H18FN3O3/c18-13-3-1-2-10-8-21(9-12(10)13)14(22)6-7-17(11-4-5-11)15(23)19-16(24)20-17/h1-3,11H,4-9H2,(H2,19,20,23,24)/t17-/m0/s1
InChIKeyMAYZZKQDOJYYNY-KRWDZBQOSA-N
XLogP1.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-{[(3S,5S)-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbonyl}pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 16223559
5-fluoro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646016
2-{[(3S,5S)-5-{[(3R)-3-fluoropyrrolidin-1-yl]carbonyl}pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646023
3-[2-(1,3-Dioxoisoindol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2464446
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 5034100
2-[2-[4-Methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
CID 2999643
N-cyclopropyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16298716
5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46881430
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2390289
3-[(2-Fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2434564
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2438290
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4596462

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 156823250) is (5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CCC(=O)N2Cc3cccc(F)c3C2)(C2CC2)N1.
What is the InChIKey of (5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is MAYZZKQDOJYYNY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-13-3-1-2-10-8-21(9-12(10)13)14(22)6-7-17(11-4-5-11)15(23)19-16(24)20-17/h1-3,11H,4-9H2,(H2,19,20,23,24)/t17-/m0/s1.
What are the key properties of (5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 331.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).